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Information card for entry 2237603
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| Coordinates | 2237603.cif |
|---|---|
| Structure factors | 2237603.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | N-Boc-L-pyroglutamic acid ethyl ester |
|---|---|
| Chemical name | <i>N</i>-Butoxycarbonyl-5-oxo-<i>L</i>-proline ethyl ester |
| Formula | C12 H19 N O5 |
| Calculated formula | C12 H19 N O5 |
| SMILES | O(C(=O)[C@H]1N(C(=O)CC1)C(=O)OC(C)(C)C)CC |
| Title of publication | <i>N</i>-Butoxycarbonyl-5-oxo-<small>L</small>-proline ethyl ester |
| Authors of publication | Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R.V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | o567 - o568 |
| a | 26.6884 ± 0.0013 Å |
| b | 5.765 ± 0.0003 Å |
| c | 8.7054 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1339.4 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237603.cif 2237603.hkl |
| 181298 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/76. |
2237603.cif 2237603.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237603.cif 2237603.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237603.cif 2237603.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237603.cif 2237603.hkl |
| 85334 | 2013-05-07 | cif/ Adding structures of 2237603 via cif-deposit CGI script. |
2237603.cif |
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Users of the data should acknowledge the original authors of the
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